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In this paper, 4. 2% ytterbium-doped calcium niobium gallium garnet (Yb∶Ca3 (NbGa)5 O12) crystals with diameter of 2 inch (1 inch =2. 54 cm) were grown by Bridgman method. The obtained crystals were intact and free of visible defects. Crystal structure was determine by XRD, which reveals that the crystal belongs to the cubic crystal system with lattice parameters a = b = c =12. 493 Å. The crystals were oriented and cut to obtain some (420) plane wafers with dimensions of 10 mm ×10 mm ×1 mm. These wafers were double-side polished to obtain the final samples. The performance of the samples was characterized through X-ray diffraction, ultraviolet-visible spectrophotometer, and fluorescence spectroscope. The results show that the rocking curve of the crystal has a full width at half maximum (FWHM) of 43″, and the transmittance reaches 80% in the near-infrared wavelength range. At 935 nm, FWHM of the absorption peak is 47. 15 nm and absorption crosssection is 1. 53 ×10 -20 cm2. When excited with a 980 nm laser, an emission peak was observed at 1 031 nm, corresponding to the transition of Yb3 + from the excited state 2 F5/2 to the ground state 2 F7/2. [ABSTRACT FROM AUTHOR]

Tuning a material's hydrophobicity is desirable in several industrial applications, such as hydrocarbon storage, separation, selective CO2 capture, oil spill cleanup, and water purification. The introduction of fluorine into rare-earth (RE) metal–organic frameworks (MOFs) can make them hydrophobic. In this work, the linker bis(trifluoromethyl)terephthalic acid (TTA) was used to make highly fluorinated MOFs. The reaction of the TTA and RE3+ (RE: Y, Gd, or Eu) ions resulted in the primitive cubic structure (pcu) exhibiting RE dimer nodes (RE-TTA-pcu). The crystal structure of the RE-TTA-pcu was obtained. The use of the 2-fluorobenzoic acid in the synthesis resulted in fluorinated hexaclusters in the face-centered cubic (fcu) framework (RE-TTA-fcu), analogous to the UiO-66 MOF. The RE-TTA-fcu has fluorine on the linker as well as in the cluster. The MOFs were characterized by powder X-ray diffraction, X-ray photoelectron spectroscopy, thermogravimetric analysis, and contact angle measurements. [ABSTRACT FROM AUTHOR]

In the prevailing study, single-phased color-tunable La1–x–yEuxTbyAlO3 co-doped nanocrystalline phosphors have been synthesized via the most simplistic and low-cost urea-aided solution combustion synthetic route. This was done by adjusting the doping concentration of Eu3+ (x = 0.01 mol, 0.03 mol, 0.05 mol, 0.07 mol) and Tb3+ (y = 0.03 mol) ions in the LaAlO3 host lattice. The X-ray powder diffraction (XRD) and Rietveld refinement analysis confirmed the formation of single-phased La0.97–xAlO3:xEu3+/0.03Tb3+ (x = 0.07), co-doped nanophosphor at 800 °C. The synthesized nanophosphors were crystallized in cubic crystal system having space group with 221 space group number. The morphological studies, i.e. field emission scanning electron microscopy (FE-SEM), and transmission electron microscope (TEM) images depicted the agglomerated clusters of distinct spherical shaped particles of La0.97–xAlO3:xEu3+/0.03Tb3+ in nano-regime. Energy dispersive X-ray analysis (EDAX) was employed to ascertain the real elemental mapping of the fabricated phosphors. Through diffuse reflectance (DR) spectroscopy measurements, the optical band gap value for La0.92Eu0.05Tb0.03AlO3 nanocrystalline phosphor was determined to be 5.26 eV. The photoluminescent excitation (PLE) and photoluminescent emission (PL) spectra were studied in detail as a function of Eu3+ ion contents and La1–x–0.03AlO3:xEu3+/0.03Tb3+ (x = 0.05 mol) co-doped sample exhibits strongest emission and over the 0.05 Eu3+ ions doping concentration, the emission intensity falls as a consequence of the quenching phenomenon. The concentration quenching in directed co-doped nanophosphors was attributed to the dipole-dipole interactions. With the exploitation of photoluminescent data, Commission International de I′Eclairage 1931 (CIE) color coordinates (x, y) of co-doped samples have been calculated from the emission spectra, which revealed the color could be tuned i.e., from orange to red region in La0.97–xAlO3:xEu3+/0.03Tb3+ samples with divergences in the Eu3+ and other significant photometric assets viz. correlated color temperature (CCT), color purity (CP) of the synthesized La1–x–yAlO3:xEu3+, yTb3+ co-doped nanocrystalline photoluminescent materials were also determined. The studies outcomes suggested that Eu3+/Tb3+ co-doped LaAlO3 phosphors have great potential as color-tunable luminescent material in solid-state lighting and display technologies. [ABSTRACT FROM AUTHOR]

We evaluate asymptotically the smoothed first moment of central values of families of primitive cubic, quartic and sextic Dirichlet L -functions, using the method of double Dirichlet series. Quantitative non-vanishing results for these L -values are also proved. [ABSTRACT FROM AUTHOR]

Lately, children's daily consumption of some products, such as cereals and candies, has been rising, which provides a compelling rationale for determining any metallic substances that may be present. Monitoring the concentration of certain metals, like nickel, in these products is necessary due to medical issues in humans when consumed regularly. So, in this work, a novel and highly selective carbon paste as a Ni(II) ion-selective sensor was prepared and investigated using ceramic magnesium aluminum spinel nanoparticles as the ionophore and tritolyl phosphate (TOCP) as a plasticizer. A modified co-precipitation method was used to synthesize the spinel nanoparticles. X-ray diffraction, scanning electron microscope with EDAX, transmission electron microscope, and BET surface area were used to determine the phase composition, microstructure, pores size, particle size, and surface area of the synthesized nanoparticles. The spinel nanoparticle was found to have a nano crystallite size with a cubic crystal system, a particle size ranging from 17.2 to 51.52 nm, mesoporous nature (average pore size = 8.72 nm), and a large surface area (61.75 m2/g). The composition ratio of graphite carbon as a base: TOCP as binder: spinal as ionophore was 67.3:30.0:2.7 (wt%) based on potentiometric detections over concentrations from 5.0 × 10−8 to 1.0 × 10−2 mol L−1 with LOD of 5.0 × 10−8 mol L−1. A measurement of 29.22 ± 0.12 mV decade−1 over pH 2.0–7.0 was made for the Nernstian slope. This sensor demonstrated good repeatability over nine weeks and a rapid response of 8 s. A good selectivity was shown for Ni(II) ions across many interferents, tri-, di-, and monovalent cations. The Ni(II) content in spiked real samples, including cocaine, sweets, coca, chocolate, carbonated drinks, cereals, and packages, were measured. The results obtained indicated no significant difference between the proposed potentiometric method and the officially reported ICP method according to the F- and t-test data. In addition to utilizing ANOVA statistical analysis, validation procedures have been implemented, and the results exceed the ICP-MS methodology. [ABSTRACT FROM AUTHOR]

A new type of Ag2S-CdS/Ag/GNP nanocomposite material was successfully synthesized in the presented work. The structural and physical properties of compounds were studied separately and together. Ag2S-CdS/Ag/GNP nanocomposite materials were studied by Xray diffraction (XRD), Ultraviolet-Visible (UV-Vis), Fourier Transform Infrared (FTIR), Raman spectroscopy and Scanning Electron Microscopy (SEM). Based on the results, Ag nanowires (NWs) were successfully synthesized, and then it was determined that during the hybridization process, two phases of acanthite Ag2S and the cubic crystal system of Ag2O were formed. Then, Ag2S-CdS NWs were formed from mixed monoclinic Ag2S and hexagonal CdS. In the absorption spectrum of Ag NWs, the main absorbance peaks were observed at 357.3 nm and 380.2 nm. The energy gap (Eg) values of the Ag sample are 3.8 eV. The band gap value of Ag2S (2.5, 3.8, 4.6 eV) and Ag2S-CdS (2.5, 3.8, 4.8 eV) have a triple value due to the formation of a hybrid structure. The Raman spectrum of Ag2S-CdS belongs to longitudinal-optical (LO) phonon modes of zinc-blende phase CdS and for the 1, 2, and 3 times spin-coated samples on the surface of GNP/PVA have observed all characteristic Raman peaks, which belong to NWs at 485.13 cm-1, and 960.22 cm-1. [ABSTRACT FROM AUTHOR]

The influence of cubic and tetragonal systems of nano-sized ceramic barium titanate powder on hemolytic activity, free radical processes and antioxidant activity was studied. The physicochemical properties of BaTiO3 obtained by heat treatment in air at 800°C and 1200°C of the precursor synthesized by the sol-gel method were investigated. Based on X-ray phase analysis in conjunction with Raman spectra and heat capacity measurements, it was found that the crystal structure of BaTiO3 calcined at 1200°C is a tetragonal crystal system, while that of BaTiO3 calcined at 800°C is a cubic crystal system. The analysis of the scanning electron microscopy method in combination with the dynamic light scattering method showed a distribution of nanosized particles from 50 to 250 nm for BaTiO3 at 800°C and from 100 nm to 240 nm at 1200°C. Depending on the processing temperature, the powders were found to have different pore sizes: at 800°C - micropores and at 1200°C - mesopores. [ABSTRACT FROM AUTHOR]

A new catalyst, Sm2NdSbO7, was synthesized for the first time by solid-phase sintering. The study utilized X-ray diffraction, transmission electron microscope energy dispersive X-ray spectroscopy, and X-ray photoelectron spectroscopy to examine the structural characteristics of monocrystal BiDyO3, monocrystal Sm2NdSbO7 and Sm2NdSbO7/BiDyO3 heterojunction photocatalysts (SBHP) prepared by solid-phase sintering. The Sm2NdSbO7 photocatalyst owned a pyrochlorite structure, belonged to the face-centered cubic crystal system, possessed a space group of Fd3m and a bandgap width of 2.750 eV. After 145 min of visible light irradiation (145-VLIRD), the removal rate (RMR) of methyl parathion (MP) or total organic carbon of SBHP was 100% or 97.58%, respectively. After 145-VLIRD, the photocatalytic degradation rates of SBHP to MP were 1.13 times, 1.20 times, and 2.43 times higher than those of the Sm2NdSbO7 photocatalyst, the BiDyO3 photocatalyst, and the nitrogen-doped TiO2 catalyst, respectively. The experimental results showed that SBHP had good photocatalytic activity. After four cycles of cyclic degradation experiments with SBHP, the elimination rates of MP were 98.76%, 97.44%, 96.32%, and 95.72%, respectively. The results showed that SBHP had good stability. Finally, the possible degradation pathways and degradation mechanisms of MP were speculated. In this study, we successfully developed a high-efficiency heterojunction catalyst which responded to visible light and possessed significant photocatalytic activity. The catalyst could be used in photocatalytic reaction system for eliminating the harmful organic pollutants from wastewater. [ABSTRACT FROM AUTHOR]

The Bayer red mud (RM) and phosphogypsum (PG) accumulation have caused significant environmental contamination. However, practical and effective resource utilization technologies are still lacking currently. This work aims to develop ferric sulfoaluminate cement (FSAC) employing low-cost materials including Bayer red mud, phosphogypsum, and other materials. This method effectively improves the utilization rate of Bayer red mud and phosphogypsum. Under the premise of ensuring the performance of FSAC, the utilization rate of solid waste can reach up to 48.56%. The effects of different red mud dosages on cement mineral formation, workability, and mechanical properties are investigated. Then, untreated phosphogypsum is adopted as a retarder for FSAC, and the hydration process, working properties, mechanical properties, types of hydration products, and morphology of FSAC are explored. The results suggest that the crystal transformation of Ye'elemite C 4 A 3 S ¯ is promoted with the increase of Bayer red mud content. Cubic crystal system Ye'elemite C 4 A 3 S ¯ - c with higher hydration activity is generated, which increases the early strength of cement but greatly reduces the setting time, hindering the later strength growth. Untreated phosphogypsum can effectively delay the early hydration process of FSAC, prolong the setting time of cement, and increase the strength of FSAC in the later stage. When the dosage of Bayer red mud and phosphogypsum is 17.64% and 9.21%, respectively, with phosphogypsum dosage of 20%, the prepared FSAC has satisfactory mechanical properties, and the 3-day and 90-day compressive strengths are 34.6 MPa and 57.1 MPa, respectively. In addition, the study of heavy metal leaching indicates that the FSAC prepared by Bayer red mud, phosphogypsum, and other raw materials will generate no environment pollution, and the solidification of heavy metal elements in the cement slurry is superior. [ABSTRACT FROM AUTHOR]

Optically transparent single-crystal blocks are prepared by the fusion of a barium fluoride charge with yttrium and erbium fluorides using sodium fluoride as a flux. The crystal structures were solved and composition of the following phases were determined: Na0.75Ba1.26Er1.99F9.24 (cubic crystal system, space group, a = 11.4192(4) Å), Na0.25BaY2.75F10.5 (cubic crystal system, space group, a = 11.4350(19) Å), Na0.05Ba0.9Y1.05F5 (orthorhombic crystal system, Cmmm space group, a = 5.7205(5) Å, b = 17.2348(11) Å, c = 5.7648 (4) Å). [ABSTRACT FROM AUTHOR]

In this research, a nano-sized cobalt ferrite material doped with Yttrium has been successfully fabricated using the sol-gel method of automatic combustion with variations in low sintering temperatures of 200, 300 and 400 °C. The results of refinement of XRD data using the Rietveld method show that the Yttrium-doped cobalt ferrite compound with a Yttrium concentration molarity of 0.1 possess a cubic crystal system and Fd-3m space group. The increasing annealing temperatures also increase the crystallite size of Yttrium-doped cobalt ferrite with the highest magnitude of 16.05 nm. The FTIR results of the samples indicated the presence of Co-O bonds around wave number 385 cm-1 and Fe-O bonds around wave number 582 cm-1 which are characteristic of the presence of cobalt ferrite compounds. From the VSM measurement results, it can be seen that there is a decrease in magnetic saturation with an increase in annealing temperature. The presence of Yttrium substitution, which takes the place of Fe3+ in cobalt ferrite material, indicates lower saturation magnetization. Image from SEM results showed samples have nanoparticle crystallite size. Evaluation of potential photocatalyst applications using a UV-Visible Spectrophotometer (UV-Vis). For Yttrium doped cobalt ferrite at 200 °C, the best degradation efficiency of Congo Red findings showed a magnitude of 76.10 %; the results are confirmed by the occurrence of the smallest crystallite size (15.11 nm). [ABSTRACT FROM AUTHOR]

Ytterbium ion doped calcium niobium gallium garnet crystal (Yb: Ca3 (NbGa)5 O12) was successfully grown by Bridgman method. The structure of the crystal was analyzed by XRD. The crystal is cubic crystal system, and the unit cell parameter a = b = c = 12.471 Å. The crystal was tested by Raman spectroscopy, transmission spectroscopy, absorption and emission spectroscopy, and fluorescence lifetime. The absorption cross section, emission cross section, and gain cross section of the crystal were calculated. The effects of annealing in air on the absorption spectrum, emission spectrum and fluorescence lifetime of the crystal were studied. The absorption cross section at 935 nm before annealing is 1.82 x 10-20 cm², and it decreases to 1.40 x10-20 cm² after annealing. The emission cross section at 1 031 nm before annealing is 0.56 x10-20 cm² and it decreases to 0.40 x 10-20 cm² after annealing. The fluorescence decay time before annealing is 1.42 ms, and it is 1.32 ms after annealing. The results demonstrate that the annealing of Yb:Ca3 (NbGa)5 O12 single crystal in air will adversely affect the laser performance of the crystal.Yb:Ca3(NbGa)5O12 crystal. [ABSTRACT FROM AUTHOR]

Energy shortages and environmental pollution are significant challenges in modern industries. Photocatalysts with a broad absorption spectrum, extended stability, superior charge separation efficiency, and strong redox capabilities exhibit considerable potential for addressing these issues. In this study, we designed a unique heterojunction photocatalyst composed of two semiconductors with staggered band structures: ZnFe 2 O 4 (ZFO) and ZnGa 2 O 4 (ZGO). This heterojunction facilitates the spatial separation of photogenerated carriers through the type II carrier transfer mechanism, thereby significantly prolonging their lifetime. Additionally, carrier separation enhances the formation of an internal electric field (IEF) at the interface, leading to enhanced photocatalytic quantum efficiency. Absorption and band structure analysis revealed that the band gap of the ZFO/ZGO heterojunction is 1.26 eV. Compared to pure ZFO and ZGO matrices, this heterojunction exhibits a "red-shifted" absorption edge and an enlarged optical response range. Furthermore, the ZFO/ZGO heterojunction displays semi-metallic characteristics that are advantageous for application-based control and retrieval, while inheriting the magnetic properties of ZFO. This strategy provides a new perspective to design photocatalysts. • The ZFO/ZGO heterojunction exhibits characteristics of a barrier interface. • The ZFO/ZGO heterojunction exhibits semi-metallic properties and inherits the magnetic properties of ZFO. • The ZFO/ZGO heterojunction, the epitaxial interface is the (111) crystal plane of the cubic crystal system. [ABSTRACT FROM AUTHOR]

Today propose diverse techniques to remedy cancer and nanotechnology is one of the most effective cancer treatments. In this study, we detail a simple and environmentally friendly approach for synthesizing copper nanoparticles (CuNPs) using Thymus fedtschenkoi leaves extract. Studies on the structure, morphological, optical, cytotoxic, and anti-lung cancer properties of the CuNPs were conducted. The XRD pattern shows that CuNPs have a highly crystalline nature and exhibit a cubic crystal system. In order to evaluate the shape and size of the produced NPs, FE-SEM and HR-TEM were employed. The findings of the current study indicated that CuNPs had a significant growth-inhibiting effect on the lung cancer cell lines: NCI-H661, NCI-H1975, NCI-H1573, and NCI-H1563. Furthermore, the cytotoxicity effect against Human umbilical vein endothelial cells (HUVEC) was not seen at concentrations as high as 1000 μg/mL for these NPs. CuNPs are expected to be employed as a medication to treat lung cancer in upcoming clinical trials after passing the in vivo tests. Thymus fedtschenkoi extract was employed to green synthesis of copper nanoparticles (CuNPs). CuNPs were characterized using FT-IR, TEM, XRD, SEM, DLS and UV/Vis. The anticancer, antioxidant and cytotoxicity activities of CuNPs were evaluated. The finding of biological activities showed that these CuNPs could be used as a drug to lung cancer therapy. [ABSTRACT FROM AUTHOR]

A groundbreaking photocatalytic nanomaterial, Dy2NdSbO7, was fabricated smoothly using the hydrothermal synthesis technique for the first time. Apart from that, Dy2NdSbO7/Bi2WO6 heterojunction photocatalyst (DBHP) was initially fabricated using the solvothermal fabrication technique. X-ray diffractometer, Fourier-transform infrared spectrometer, Raman spectrometer, UV-visible spectrophotometer, X-ray photoelectron spectrometer, inductively coupled plasma optical emission spectrometer, transmission electron microscope, and X-ray energy dispersive spectroscopy have been applied to evaluate and investigate the thetastructure, morphology, and physicochemical properties of synthesized samples. The results confirmed that the pyrochlore-type crystal structures of Dy2NdSbO7 belonged to the Fd3m space group with the cubic crystal system and the β-pyrochlore-type crystal structures of Bi2WO6 which belonged to the Pca21 space group with orthorhombic crystal system. Under visible light exposure for 155 min (VLP-155min) using DBHP in the capacity of the photocatalytic nanomaterial, the removal efficiency of chlorpyrifos (CPS) saturation reached 100%. Comparison of CPS removal efficiency after VLP-155min revealed that DBHP exhibited higher removal efficiency than Dy2NdSbO7, Bi2WO6, or N-doped TiO2 photocatalyst, with removal efficiency 1.15 times, 1.23 times, or 2.55 times higher, respectively. Furthermore, the oxidizing capability of free radicals was investigated using trapping agents. Results demonstrated that superoxide anions exhibited the strongest oxidative capability, followed by hydroxyl radicals and holes. The results presented in this study lay a robust groundwork for future investigations and advancements in the field of highly efficient heterostructure material. These findings have significant implications for the development of environmental remediation strategies and provide valuable insights into sustainable solutions for addressing CPS contamination. [ABSTRACT FROM AUTHOR]

Two‐ and three‐periodic vertex‐transitive (isogonal) piecewise‐linear embeddings of self‐entangled and interwoven honeycomb nets are described. The infinite families with trigonal symmetry and edge transitivity (isotoxal) are particularly interesting as they have the Borromean property that no two nets are directly linked. These also lead directly to infinite families of interpenetrating primitive cubic nets (pcu) that are also vertex‐ and edge‐transitive and have embeddings with 90° angles between edges. [ABSTRACT FROM AUTHOR]

We report the CO2 capture properties of an ultramicroporous physisorbent [Ni(WO2F4)(pyrazine)2]n, WO2F4-1-Ni, which crystallizes in I4/mcm (a = 9.91785(6) Å, c = 15.71516(9) Å) and its structure is solved using laboratory X-ray powder diffraction. The WO2F4 anion is acentric with polarizable W＝O bonds offering unique potential properties within a porous structure. Despite isostructural compounds being previously reported, the effect of this distorted anion on CO2 capture properties has not been studied. In this context, at a 400 ppm partial pressure of CO2 (applicable for direct air capture), this primitive cubic (pcu) network captures 0.934 mmolCO2 gsorbent−1 under dry conditions and 0.685 mmolCO2 gsorbent−1 at 75%RH, the highest capacity for a physisorbent reported to date. [ABSTRACT FROM AUTHOR]

Nano‐structure Cu(II) complex [Cu(AMAB)2]Cl2 with Schiff base (AMAB) derived from the condensation between 4‐(dimethylamino)benzaldehyde and amoxicillin trihydrate was prepared. (AMAB) Schiff base and its Cu(II) complex were identified and confirmed by different physicochemical techniques. The Schiff base (AMAB) was coordinated to copper ion through carbonyl oxygen and imine nitrogen donor sites. X‐ray powder diffraction shows a cubic crystal system of the Cu(II) complex. The density functional theory was used to optimize the structure geometries of the investigated compounds. The molecular docking of the active amino acids of the investigated proteins' interactions with the tested compounds was evaluated. The bactericidal or bacteriostatic effect of the compounds was screened against some bacterial strains. The activity of Cu‐chelate against Gram‐negative bacteria was mainly more effective than its (AMAB) ligand and vice versa in the case of Gram‐positive bacteria. The biological activity of the prepared compounds with biomolecules calf thymus DNA (CT‐DNA) was determined by electronic absorption spectra and DNA gel electrophoresis technique. All studies revealed that the Cu‐chelate derivative exhibited better binding affinity to both CT‐DNA than the AMAB and amoxicillin itself. The anti‐inflammatory effect of the designed compounds was determined by testing their protein denaturation inhibitory activity spectrophotometrically. All obtained data supported that the designed nano‐Cu(II) complex with Schiff base (AMAB) is a potent bactericide against H. pylori, and exhibits anti‐inflammatory activity. The dual inhibition effects of the designed compound represent a modern therapeutic approach with extended spectrum of action. Therefore, it can act as good drug target in antimicrobial and anti‐inflammtory therapies. Finally, H. pylori resistance to amoxicillin is absent or rare in many countries, thus amoxicillin nanoparticles may be beneficial for countries where amoxicillin resistance is reported. [ABSTRACT FROM AUTHOR]

Nowadays, low-temperature co-fired ceramic (LTCC) technology has become one of the main forms of manufacturing electronic devices. However, a majority of microwave dielectric ceramics are not suitable as LTCC materials due to their high sintering temperatures. Developing novel LTCC materials with good microwave dielectric properties is extremely urgent. In this paper, an LiF sintering aid was added to Li2Ti0.8(Co1/3Nb2/3)0.2O3 (LTCN) ceramics to explore new LTCC materials. The sintering behavior, microstructure and microwave dielectric properties of LTCN + x wt% LiF ceramics were investigated in detail. The results indicated that the addition of LiF increased the degree of disorder in the LTCN matrix, transforming it from a monoclinic to a cubic crystal system. The ceramics exhibited relatively dense and homogeneous microstructures at the sintering temperature of 950 °C as the LiF doping amount was not less than 2 wt%. By LiF doping, the quality factor (Q × f) value was significantly enhanced due to the improved microstructure. Meanwhile, the temperature coefficient of resonant frequency (τf) of LTCN ceramics was successfully regulated to the near zero value owing to the negative τf characteristic of LiF. Excellent microwave dielectric properties of dielectric constant (εr) = 19.01, Q × f = 144,890 GHz, τf = −1.52 ppm/°C were obtained when the sample doped 3 wt% LiF was sintered at 950 °C for 3 h. Furthermore, the good chemical compatibility of the LTCN-3 wt% LiF ceramic with silver electrodes suggested that the ceramic was a potential material for LTCC applications. [ABSTRACT FROM AUTHOR]

Fluoride is a concern for human health at high concentrations, but it is also a valuable compound with multiple applications. Thus, having a system that gives the opportunity to remove and recover this valuable element from water is highly interesting. Reverse osmosis (RO) is a promising technology in the removal of fluoride from water. Nevertheless, the residual retentate highly concentrated in fluoride is still a concern. The aim of this study was to evaluate the performance of an integrated process consisting of RO and membrane crystallization to remove fluoride from water and to recover it as a pure fluoride salt. Pure water permeability and fluoride rejection of a commercial RO membrane was tested under different conditions. In addition, the performance of an osmotic membrane crystallization setup was evaluated, considering the effect caused by the flow rates and the concentration of both the feed and the osmotic solution on the mass transfer coefficient. The crystallization process allowed the production of pure NaF crystals with octahedral morphology with a face-centered cubic crystal system. [ABSTRACT FROM AUTHOR]

A variable temperature single crystal X‐ray diffraction study of the ternary compound, Cu4TiTe4 is reported between 200–400 K. The temperature dependent study indicates the compound undergoes an order‐disorder phase transition at ∼320 K. Below the transition temperature, the phase that crystallizes in the primitive cubic space group P4‾ ${\bar{4}}$ 3 m with lattice parameter of a≈5.9 Å, transforms into the two‐fold superstructure. It is modeled as a fourfold twinned rhombohedral structure. The transition is reversible. To relate the phases, a group‐subgroup symmetry relations are established. Upon decreasing temperature, the atomic ordering is noticed in the occupationally disordered Cu‐sites of Cu4TiTe4. This characteristic structural rearrangement may have a significant impact on the electronic structure of Cu4TiTe4. Hence, the detailed structural characterization is supposed to be useful for further understanding of thermoelectric transport properties in the Cu4TiTe4. [ABSTRACT FROM AUTHOR]

Two novel alkaline-earth zincophosphites, namely CaZn(HPO3)2 and Ba2Zn(HPO3)3, were successfully synthesized under hydrothermal conditions. CaZn(HPO3)2 exhibits a three-dimensional (3D) anionic framework with a 6-connected uni-nodal pcu α-Po primitive cubic topology, constructed by unique Zn2O8 dimers and HPO3 pseudo-tetrahedra, while Ba2Zn(HPO3)3 displays one-dimensional (1D) [Zn(HPO3)3]4− anionic chains. It is worth mentioning that CaZn(HPO3)2 represents the first example of an alkaline-earth zincophosphite compound with a 3D framework structure. Our research also revealed the importance of both alkaline earth cation sizes and Zn/P ratios in anionic open-framework formation. The crystal structures of both compounds were further verified by energy dispersive spectroscopy, IR spectroscopy and Raman spectroscopy. Optical diffuse reflectance spectra, coupled with Tauc's fitting, revealed direct bandgaps with energy values of 4.33 and 4.48 eV for CaZn(HPO3)2 and Ba2Zn(HPO3)3, respectively, which differ from the prediction of theoretical calculations. Density of states calculations were conducted to reveal the origin of the bandgaps and bond interactions. Both compounds exhibited moderate birefringence values. This work may have implications for the design and synthesis of novel metal phosphites with desired properties. [ABSTRACT FROM AUTHOR]

A variable temperature single crystal X‐ray diffraction study of the ternary compound, Cu4TiTe4 is reported between 200–400 K. The temperature dependent study indicates the compound undergoes an order‐disorder phase transition at ∼320 K. Below the transition temperature, the phase that crystallizes in the primitive cubic space group P4‾ ${\bar{4}}$ 3 m with lattice parameter of a≈5.9 Å, transforms into the two‐fold superstructure. It is modeled as a fourfold twinned rhombohedral structure. The transition is reversible. To relate the phases, a group‐subgroup symmetry relations are established. Upon decreasing temperature, the atomic ordering is noticed in the occupationally disordered Cu‐sites of Cu4TiTe4. This characteristic structural rearrangement may have a significant impact on the electronic structure of Cu4TiTe4. Hence, the detailed structural characterization is supposed to be useful for further understanding of thermoelectric transport properties in the Cu4TiTe4. [ABSTRACT FROM AUTHOR]

A multi-agent system is a system of multiple interacting entities, known as intelligent agents, who possibly have different information and/or diverging interests. The agents could be robots, humans, or human teams. Opinion dynamics is a process of individual opinions in which a group of interacting agents continuously fuse their opinions on the same issue based on established rules to reach a consensus at the final stage. Historically, the idea of reaching consensus through repeated averaging was introduced by DeGroot for a structured time-invariant and synchronous environment. Since then, consensus, which is the most ubiquitous phenomenon of multi-agent systems, has become popular in various scientific fields such as biology, physics, control engineering, and social science. To some extent, a Krause mean process is a general model of opinion sharing dynamics in which the opinions are represented by vectors. In this paper, we represent opinion sharing dynamics by means of Krause mean processes generated by diagonally primitive cubic doubly stochastic matrices, and then we establish a consensus in the multi-agent system. [ABSTRACT FROM AUTHOR]

The paper reports the results of the study on the synthesis of new heterometallic complexes of Co(II) and Nd(III) with succinic acid in the presence of 1,10-phenanthroline or pyridine. The following hetero- and monocomplexes were synthesized: [Co(C4H4O4)-2Py]-2H2O and [Co(C4H4O4)- Phen].2H2О; [Nd,(C4H4O4)3]5H2О and [Nd(C4H4O4)3 2Phen]2H2O; [Co2Nd2(C4H4O4)54Py]4H2O and [Co2Nd2(C4H4O4)52Phen]4H2O (Phen - phenanthroline, and Py - pyridine). The study of their composition, structure, thermal properties and determination of the ability of he-terocomplexcs to form complex oxides was carried out. The complexes were characterized by a number of physicochemical methods: elemental analysis, IR- and diffuse reflection spectroscopies, X-ray powder diffraction and differential thermal analysis. Based on the analysis of diffuse reflection spectra and IR spectra ofhcterocomplexcs, it was shown that succinic add and 1,10-phenanthroline are bidentatcly bound to metal atoms. The metals arc connected by succinic acid, forming a chain. Oxide powders were obtained during thermolysis of hc-tcrocomplcxcs up to 00°C. The-composition of the synthesized hcteromctallic compounds was controlled by X-ray powder diffraction. It was shown that a complex oxide of NdCoO3 (cubic crystal system), without impurities, was formed, when the heterocomplex of phenanthroline [Co2Nd2(C4H4O4)3-2 Phen]-411,0 was heated to 800°C. When heating the heterocomplex of pyridine [Co2Nd2(C4H4O4)5-4Py]-4H2O, in addition to the complex oxide-NdCoO3, oxides Nd2O3 (hexagonal crystal system), Nd2O3 (cubic crystal system) and Co3O4 oxide-(cubic crystal system) were forme-d. The he-terocomplex [Co2Nd2(C4H4O4)5-2Phcn]-4H2O can be used as a precursor for the synthesis of cobaltate of neodymium with lower energy costs than in solid-phase synthesis. [ABSTRACT FROM AUTHOR]

Natural polysaccharides are essential to a wide range of fields, including medicine, food, and cosmetics, for their various physiochemical and biological properties. However, they still have adverse effects limiting their further applications. Consequently, possible structural modifications should be carried out on the polysaccharides for their valorization. Recently, polysaccharides complexed with metal ions have been reported to enhance their bioactivities. In this paper, we synthesized a new crosslinked biopolymer based on sodium alginate (AG) and carrageenan (CAR) polysaccharides. The biopolymer was then exploited to form complexes with different metal salts including MnCl2·4H2O, FeCl3·6H2O, NiCl2·6H2O, and CuCl2·2H2O. The four polymeric complexes were characterized by Fourier-transform infrared spectroscopy (FT-IR), elemental analysis, ultraviolet–visible spectroscopy (UV–Vis), magnetic susceptibility, molar conductivity methods, and thermogravimetric analysis. The X-ray crystal structure of the Mn(II) complex is tetrahedral and belongs to the monoclinic crystal system with the space group P121/n1. The Fe(III) complex is octahedral and crystal data fit with the cubic crystal system with the space group Pm-3m. The Ni(II) complex is tetrahedral and crystal data correspond to the cubic crystal arrangement with the space group Pm-3m. The data estimated for the Cu(II) polymeric complex revealed that it is tetrahedral and belongs to the cubic system with the space group Fm-3m. The antibacterial study showed significant activity of all the complexes against both Gram-positive bacteria (Staphylococcus aureus and Micrococcus luteus) and Gram-negative (Escherichia coli and Salmonella typhimurium) pathogenic strains. Similarly, the various complexes revealed an antifungal activity against Candida albicans. The Cu(II) polymeric complex recorded a higher antimicrobial activity with an inhibitory zone reaching 4.5 cm against Staphylococcus aureus bacteria and the best antifungal effect of 4 cm. Furthermore, higher antioxidant values of the four complexes were obtained with DPPH scavenging activity varying from 73 to 94%. The two more biologically effective complexes were then selected for the viability cell assessments and in vitro anticancer assays. The polymeric complexes revealed excellent cytocompatibility with normal human breast epithelial cells (MCF10A) and a high anticancer potential with human breast cancer cells (MCF-7) which increase significantly in a dose-dependent manner. [ABSTRACT FROM AUTHOR]

The Fe-bearing intermetallic phases present in the as-cast AA6026 alloy and their evolution during homogenization treatments at 480-550°C were investigated using optical microscopy, SEM, and TEM techniques in combination with EDS analysis. In addition to the α-Al(Fe,Mn)Si phase with dendritic morphology, two types of plate-like Fe-bearing microconstituents were revealed in the microstructure of the as-cast alloy. The EDS microanalysis and electron diffraction showed that one set of platelets represented thin sections of α-Al(Fe,Mn)Si microconstituent. The other set of plate-like microconstituents was identified as a tetragonal, silicon-rich δ-Al4(Fe,Mn)Si2 phase. The formation of the δ-Al4(Fe,Mn)Si2 phase was attributed to the chemical composition of the alloy. During homogenization, the metastable δ-Al4(Fe,Mn)Si2 transformed into the α-Al(Fe,Mn)Si phase and fragmented. The dendritic α-Al(Fe,Mn)Si microconstituents underwent fragmentation. However, while the α-Al(Fe,Mn)Si microconstituents preserved a b.c.c. crystal lattice throughout the process, the product of the transformation of the δ-Al4(Fe,Mn)Si2 phase exhibited primitive cubic lattice. [ABSTRACT FROM AUTHOR]

This study investigates the impact of alloying Mn-Al-Ga with 3 at.-% Ni and the stability and formation mechanisms of the τ phase and the resulting magnetic properties. The stabilizing effect of Ga on the τ phase was verified, and the ternary alloy's magnetization was measured up to M 2 T = 482 k A   m − 1 . The phase transformation from γ 2 to τ in ternary Mn-Al-Ga was demonstrated microscopically. The solubility limit of Ni into the τ phase was exceeded at 3 at.-% and a primitive cubic κ phase formed. The Ni addition stabilized the τ phase. The highest magnetization at 2 T for the Mn52Al39.4Ga5.6Ni3 alloy was M 2 T = 416   k A   m − 1 . A new transformation pathway was demonstrated by first annealing the Mn-Al-Ga-Ni alloy at 800 °C for 24 h, which forms a nearly single κ phase, which is followed by a second anneal at 500 °C for 24 h at which the τ phase formed with some remaining κ phase. This is a new transformation mechanism since it involves a phase reaction from κ to τ. The energy product of the Mn-Al-Ga-Ni alloy exceeded that of the ternary Mn-Al-Ga alloy by a factor of 4.5. The κ-phase particles in the Mn-Al-Ga-Ni alloy hinder magnetic domain boundary motion, thus providing a method for magnetic hardening and increasing the energy product. [ABSTRACT FROM AUTHOR]

A Fe3O4@ZnO/C nanocomposite with a core-shell structure was synthesized using the co-precipitation method. To prevent the aggregation of the Fe3O4 magnetic particles, polyethylene glycol (PEG) was added. The X-ray diffractometer (XRD) results confirmed the formation of Fe3O4 and ZnO phases, with Fe3O4 having a cubic crystal system and ZnO having a hexagonal crystal system. Carbon in Fe3O4@ZnO/C had no effect on the crystal structure of Fe3O4@ZnO. Images from transmission electron microscopy (TEM) and scanning electron microscopy (SEM) revealed that the nanocomposite formed a core-shell structure. The Fourier transform infrared (FTIR) spectra verified the presence of bonds among ZnO, Fe3O4, and carbon. The appearance of the stretching vibration of the C≡C bond on the Fe3O4@ZnO/C sample revealed the nanocomposites' carbon coupling. Photoluminescence (PL) spectroscopy was used to characterize the optical properties of the nanocomposites. Based on the results of the PL, the sample absorption of visible light was in the wavelength range of 400–700 nm. The photoluminescence of Fe3O4@ZnO differed from that of the Fe3O4@ZnO/C, especially in the deep-level emission (DLE) band. There was a phenomenon of broadening and shift of the band at a shorter wavelength, namely, in the blue wavelength region. Magnetic properties were characterized by vibrating-sample magnetometry (VSM). Based on the VSM results, the sample coupled with carbon exhibited a decrease in magnetic saturation. The presence of carbon changed photon energy into thermal energy. So, this material, apart from being a bioimaging material, can also be developed as a photothermal therapy material. [ABSTRACT FROM AUTHOR]

Recently, metal–organic frameworks (MOFs) as the cathode materials for aqueous zinc‐ion batteries (ZIBs) received growing attention. Herein, a novel MOF, Ni‐Ndi‐trz (Ndi‐trz=2,7‐di(4H‐1,2,4‐triazol‐4‐yl)benzo[lmn][3,8]phenanthroline‐1,3,6,8(2H,7H)‐tetraone) was synthesized through a solvothermal method. Its rational design using a naphthalene diimide (Ndi) core allowed the formation of a four‐fold interpenetrated pcu (primitive cubic) topology. The as‐synthesized Ni‐Ndi‐trz is highly stable over a wide pH range (0–12) for 30 days, which is critical to ensure the decent cyclability of zinc‐ion batteries (ZIBs). When used as the cathode material of ZIBs, it shows a high initial specific capacity of 90.7 mAh g−1 and excellent cycling stability. Remarkably, three‐electrode system tests, ex situ FTIR, UV/Vis and XPS spectra revealed that the Ndi core of Ni‐Ndi‐trz undergoes a reversible interconversion between the keto and enol forms when interacting with Zn2+ ions. This work may shed light on the feasibility of designing novel MOFs and exploring their mechanisms for zinc ion batteries. [ABSTRACT FROM AUTHOR]

We show that each irreducible tensor representation of weight 2 of the rotation group in the space of rank 3 tensors over three-dimensional space gives rise to an associative algebra with unity. We find the algebraic conditions to be satisfied by the generators of these algebras. Part of these relations is of binary, and another part is of ternary type. The structure of the latter one is based on the use of the cyclic group ℤ 3 generated by the primitive cubic root of unity given by q = exp (2 π i / 3). The subspace of each algebra spanned by triple products of generators is five-dimensional (5D) and is identical with the space of irreducible tensor representation of weight 2 of the rotation group SO (3). We define a Hermitian scalar product in this 5D subspace and construct its orthonormal basis in terms of triple products of generators. Then we find an explicit formula for the Lie algebra homomorphism so (3) → su (5). We suggest that the algebras constructed in this way, with binary and ternary constitutive relations, may find applications in the quark model and the Grand Unified Theories. [ABSTRACT FROM AUTHOR]

The cubic Laves-phase aluminides REAl2 with RE = Sc, Y, La, Yb and Lu were prepared from the elements by arc-melting or using refractory metal ampoules and induction heating. They all crystallize in the cubic crystal system with space group Fd3¯m and adopt the MgCu2 type structure. The title compounds were characterized by powder X-ray diffraction and spectroscopically investigated using Raman and 27Al and in the case of ScAl2 by 45Sc solid-state MAS NMR. In both, the Raman and NMR spectra, the aluminides exhibit only one signal due to the crystal structure. DFT calculations were used to calculate Bader charges illustrating the charge transfer in these compounds along with NMR parameters and densities of states. Finally, the bonding situation was assessed by means of ELF calculations rendering these compounds aluminides with positively charged REδ+ cations embedded in an [Al2]δ− polyanion. [ABSTRACT FROM AUTHOR]

Fe2Ni2CrAl multi-principal elements alloy (MPEA) has been regarded as promising candidate for engineering application due to its desirable combination of strength and plasticity. In this work, the microstructure, hardness and wear resistance of Fe2Ni2CrAl MPEA were systematically investigated. This alloy has a dual-phase structure, comprised of the FCC and BCC/+B2 phase. The average nanohardness is 4.59 GPa, and the average elastic modulus is 199.4 GPa. By performing reciprocating ball-on-flat friction tests, the Fe2Ni2CrAl MPEA shows good wear resistance, with a wear rate of 8.72 × 10−5 mm3/(Nm) and average friction coefficient of ~ 0.54. The wear mechanisms are a mixture of adhesive, abrasive and oxidation wear, accompanied by cracks and delamination. Molecular dynamics (MD) was utilized to study the wear behavior at nanoscale. The surface suffers severer deformation during the first slide. Then, the reciprocating friction contributes to the surface strain hardening in the later slide. The large displacement and shear strain region were concentrated below the rigid ball, and the atomic damage was identified. Fewer dislocations are produced during reciprocating friction, accompanied with the reduced atomic shear strain and lattice deterioration. The Shockley-type dislocation plays a dominant role in the whole nano-wear process. This work explored the friction behavior in depth and provided a deep insight into wear mechanisms for Fe2Ni2CrAl MPEAs. [ABSTRACT FROM AUTHOR]

The first example of a coordination polymer with a triply charged metal ion is obtained based on the conformationally mobile bridging ligand 1,4-diazabicyclo[2.2.2]octane N,N′-dioxide (odabco). Its structure is characterized by single crystal X-ray diffraction. The compound has the formula [La(odabco)3]Cl3·xH2O (1) with a variable hydration number and is composed of six-coordinated octahedral La3+ sites. The 3D cationic coordination lattice of 1 has a primitive cubic (pcu) topology and contains isolated voids with a total specific volume of 28% filled with chloride anions and water molecules. The compound is characterized by powder XRD and elemental analysis. The absence of absorption maxima in the visible and UV ranges up to 270 nm is shown by diffuse reflectance spectroscopy for 1. [ABSTRACT FROM AUTHOR]

In the current study, we report an excellent high temperature oxidation resistance of AlCoCrFeNi high entropy alloy (HEA) following surface modification. The surface properties of HEA were tailored through a severe surface deformation technique. The as cast HEA exhibited coarse grain B2/BCC microstructure. In contrast, processed specimen showed significant grain refinement along with B2/BCC to FCC phase-transition. The processed specimen demonstrated 11–67% reduction in the oxidation kinetics. Cr2O3 and Al2O3 were the predominant oxides formed in all the oxidized specimens. In addition, Cr, Fe and Co rich spinels were also found in the as cast oxidized specimens. The superior oxidation resistance of the processed specimen is attributed to the microstructural refinement resulting in the formation of protective dense chromia layer. [ABSTRACT FROM AUTHOR]

The Riesz potential fs(r)=r−s$f_s(r)=r^{-s}$ is known to be an important building block of many interactions, including Lennard‐Jones–type potentials fn,mLJ(r):=ar−n−br−m$f_{n,m}^{\rm {LJ}}(r):=a r^{-n}-b r^{-m}$, n>m$n>m$ that are widely used in molecular simulations. In this paper, we investigate analytically and numerically the minimizers among three‐dimensional lattices of Riesz and Lennard‐Jones energies. We discuss the minimality of the body‐centered‐cubic (BCC) lattice, face‐centered‐cubic (FCC) lattice, simple hexagonal (SH) lattices, and hexagonal close‐packing (HCP) structure, globally and at fixed density. In the Riesz case, new evidence of the global minimality at fixed density of the BCC lattice is shown for s<0$s<0$ and the HCP lattice is computed to have higher energy than the FCC (for s>3/2$s>3/2$) and BCC (for s<3/2$s<3/2$) lattices. In the Lennard‐Jones case with exponents 3

Lattice structure topology is a rapidly growing area of research facilitated by developments in additive manufacturing. These low-density structures are particularly promising for their medical applications. However, predicting their performance becomes a challenging factor in their use. In this article, four lattice topologies are explored for their suitability as implants for the replacement of segmental bone defects. The study introduces a unit-cell concept for designing and manufacturing four lattice structures, BCC, FCC, AUX, and ORG, using direct melt laser sintering (DMLS). The elastic modulus was assessed using an axial compression strength test and validated using linear static FEA simulation. The outcomes of the simulation revealed the disparity between the unit cell and the entire lattice in the cases of BCC, FCC, and AUX, while the unit-cell concept of the full lattice structure was successful in ORG. Measurements of energy absorption obtained from the compression testing revealed that the ORG lattice had the highest absorbed energy (350 J) compared with the others. The observed failure modes indicated a sudden collapsing pattern during the compression test in the cases of BCC and FCC designs, while our inspired ORG and AUX lattices outperformed the others in terms of their structural integrity under identical loading conditions. [ABSTRACT FROM AUTHOR]

Silver–tantalum (Ag–Ta) thin films were fabricated by magnetron co-sputtering on silicon (Si) wafer (100) and glass slide substrates at room temperature. The Ag–Ta thin films were prepared at various deposition times of 5, 10, 20 and 30 s and the physical, structural and optical properties of the Ag–Ta thin films were investigated. It was determined that the thicknesses of the films were 7, 9, 17 and 33 nm, respectively. The results revealed that an increase in the film thickness leads to a monotonic increase in FCC and BCC phase of Ag and Ta, respectively. The work function and stoichiometric of the Ag–Ta thin films were investigated by ultraviolet and X-ray photoemission spectroscopies (UPS and XPS), respectively. The potential of Ag–Ta thin films to be used as low-emission coating was investigated using a spectrophotometer. A UV–VIS–NIR spectrophotometer was used to measure the spectral reflectance in the wavelength range from 300 to 2000 nm. The results showed that the Ag–Ta thin film deposited for 30 s exhibited higher reflectance in NIR region than those of 5, 10, 20 and 30 s. It demonstrated an average reflectance of about 80% and slightly decreased to 75% after being kept in the air atmosphere for 28 days. It can be likewise proposed as an alternative thin film with high reflectance of NIR radiation single layer to develop industrial low-emission coating for cost-effective, clean, and easy adaptation to a large area coating. [ABSTRACT FROM AUTHOR]

In this study, cerium oxide nanorods (CeO2-NRs) were synthesized by using the phytochemicals present in the Dalbergia sissoo extract. The physiochemical characteristics of the as-prepared CeO2-NRs were investigated by using ultraviolet-visible spectroscopy (UV-VIS), scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), and X-ray diffraction analysis (XRD). The SEM and UV-VIS analyses revealed that the acquired nanomaterials possessed a rod-like morphology while the XRD results further confirmed that the synthesized NRs exhibited a cubic crystal lattice system. The antioxidant capacity of the synthesized CeO2-NRs was investigated by using several in vitro biochemical assays. It was observed that the synthesized NRs exhibited better antioxidant potential in comparison to the industrial antioxidant of the butylated hydroxyanisole (BHA) in 1,1-diphenyl-2-picrylhydrazyl (DPPH) assay. The biochemical assays, including lipid peroxidation (LPO), total antioxidant capacity (TAC), and catalase activity (CAT), were also performed in the human lymphocytes incubated with the CeO2-NRs to investigate the impact of the NRs on these oxidative biomarkers. Enhanced reductive capabilities were observed in all the assays, revealing that the NRs possess excellent antioxidant properties. Moreover, the cytotoxic potential of the CeO2-NRs was also investigated with the MTT assay. The CeO2-NRs were found to effectively kill off the cancerous cells (MCF-7 human breast cancer cell line), further indicating that the synthesized NRs exhibit anticancer potential as well. One of the major applications studied for the prepared CeO2-NRs was performing the statistical optimization of the photocatalytic degradation reaction of the methyl orange (MO) dye. The reaction was optimized by using the technique of response surface methodology (RSM). This advanced approach facilitates the development of the predictive model on the basis of central composite design (CCD) for this degradation reaction. The maximum degradation of 99.31% was achieved at the experimental optimized conditions, which corresponded rather well with the predicted percentage degradation values of 99.58%. These results indicate that the developed predictive model can effectively explain the performed experimental reaction. To conclude, the CeO2-NRs exhibited excellent results for multiple applications. [ABSTRACT FROM AUTHOR]

A simple and general method has been developed to calculate the surface free energy of crystalline tungsten nanoparticles [NP] and nanostructures [NS]. The model takes into account the size, structure, and shape of nanosolids (NPs/NSs). The size-dependent volume and surface-packing fractions are also considered. Both NPs and NSs show size, structure, and shape dependence of the surface free energy (SFE, γ ). γ decreases as the size decreases for spherical NP. As the shape is deformed from spherical, γ shows opposite behaviors for NPs and NSs, where it increases for NSs. The model also suggests a novel, theoretical method to predict the structural transition in elements from BCC to FCC or vice versa. As a study case, the model has been applied to tungsten (W). The SFE of a W spherical NP of 0.192 eV/Å2 has been found to drop to 0.150 eV/Å2 at ultrasmall size for both FCC and BCC. On the other hand, the SFE increases to values ranging between 0.18 to 0.20 eV/Å2 for shape deformation factors ranging between 1.512 and 2.936. The results were compared with previous theoretical predictions for other transition metals and show a complete agreement with the general behavior of this study for tungsten spherical and non-spherical nano-tungsten. [ABSTRACT FROM AUTHOR]

Understanding the dissolution behavior and reaction rate of TiO 2 in the NaCl-KCl-K 2 TiF 6 electrolyte system is paramount for the advancement of a novel titanium metal production process. Initially, the liquidus temperature of the electrolyte system decreases with an increase in K 2 TiF 6 content or the addition of a small amount of TiO 2. Kinetic analysis reveals that the dissolution of TiO 2 in the electrolyte follows a zero-order reaction for the first 30 min, with an activation energy of 2.46 × 105 (J/mol). The saturation concentration of TiO 2 is reached at 300 min, and higher reaction temperatures or increased K 2 TiF 6 content enhance the solubility of TiO 2 in the electrolyte. In addition, the regression equation Y = − 25.02096 + 1.06412 x 1 + 0.0362 x 2 among the solubility of TiO 2 (Y), the ratio of fluoride to chloride in electrolyte (x 1) and experimental temperature (x 2) was established by multivariate regression model. The analysis indicates that TiO 2 dissolves in the electrolyte system as a complex K 2 NaTiOF 5 , releasing TiOF 2 gas during the reaction. Finally, characterization studies on the elemental composition, chemical state, molecular structure, and material morphology of K 2 NaTiOF 5 complex and TiOF 2 gas reveal even distribution of elements. The K 2 NaTiOF 5 complex molecules exhibit irregularly polygonal dispersion, while TiOF 2 exists as agglomerated particles. • Dissolution of TiO 2 follows zero-order reaction in first 30 minutes with Ea of 2.46 × 105 (J/mol). • Saturation concentration of TiO 2 reached at 300 min. • Solubility of TiO 2 increases with higher temperatures and K 2 TiF 6 content. • TiO 2 dissolves as K 2 NaTiOF 5 complex, releasing TiOF 2 gas. • K 2 NaTiOF 5 has cubic crystal system with face-centered lattice structure. [ABSTRACT FROM AUTHOR]

In this study, three-B-site perovskite Ba(Zr 1–2x Ti x Ce x)O 3 (x=0–0.2) materials with the co-substitution of Ti4+ and Ce4+ at the Zr-site of barium zirconate (BaZrO 3) were successfully prepared. The analyses of XRD & Rietveld method, SEM, and TEM indicated that the substituted ions Ti4+ and Ce4+ entered the BaZrO 3 lattice to form a single-phase solid solution, showing a conventional primitive cubic perovskite structure (Pm-3 m space group), and its lattice parameters gradually increased from 0.4192 nm to 0.4206 nm with x value. The sample with x=0.1 exhibited relatively optimal structural uniformity and densification, as well as comprehensive physical properties. The sample Ba(Zr 0.8 Ti 0.1 Ce 0.1)O 3 showed a minimum mean grain size of 1.50 μm. And due to the combined effect of solid solution formation and grain refinement, it displayed an apparent porosity of 1.42 % with a cold modulus of rupture (CMOR) of 123.8 MPa, and a thermal conductivity at ambient temperature of 2.197 W/mK. Furthermore, this three-B-site perovskite Ba(Zr 1–2x Ti x Ce x)O 3 exhibits excellent high-temperature stability. This study demonstrates the promising application of the dense, high-strength, and low-thermal conductivity Ba(Zr 0.8 Ti 0.1 Ce 0.1)O 3 perovskite material in the field of advanced refractory ceramics. • A three-B-site perovskite Ba(Zr 1–2x Ti x Ce x)O 3 (x=0–0.2) were prepared via high-temperature solid-state method. • The analyses indicated the formation of a solid solution, showing a conventional primitive cubic perovskite structure. • Sample Ba(Zr 0.8 Ti 0.1 Ce 0.1)O 3 displayed an apparent porosity of 1.42 % with a cold modulus of rupture of 123.8 MPa, and a thermal conductivity at ambient temperature of 2.197 W/mK. [ABSTRACT FROM AUTHOR]

Spinel compounds, classified as ceramics, have exhibited excellent industrial application features. The spinel form of cobalt aluminate was successfully synthesized by using the co-precipitation method. A comprehensive explanation of spinel cobalt synthesis was provided, including thermodynamics and non-isothermal kinetic modelling of the transformation process of cobalt-aluminium complexes into CoAl 2 O 4. The synthesized blue-coloured powder was identified as Spinel (CoAl 2 O 4) with the cubic crystal system. In the morphological analyses, particle sizes were varied in the range of 130–250 nm. The CoAl 2 O 4 formation was explained by a three-step reaction and the Coast-Redfern non-isothermal kinetic method. The averages of activation energies were found as 53.42 kJ/mol, 56.19 kJ/mol and 380.25 kJ/mol for the first, second and third steps of the thermal process, respectively. The synthesis reaction was found to be endothermic and non-spontaneous based on calculations of thermodynamic functions of ΔH, ΔG, and ΔS by using activated complex theory. [Display omitted] [ABSTRACT FROM AUTHOR]

Magnesium-doped barium zirconate (BaZrO 3) powders with various Mg atomic ratios (0.1, 0.2, 0.3, 0.4, and 0.5) have been synthesized by using the solid-state reaction method. The structure and microstructure were studied via scanning electron microscopy, X-ray powder diffraction (XRD), energy dispersive X-ray (EDX), Raman, and Fourier transform infrared (FTIR) spectroscopy. The optical properties were investigated using UV–Vis and photoluminescence spectroscopy. XRD results showed that the synthesized powders have a cubic crystal system with a grain size in the range of 23–27 nm. The band gap is estimated to be about 3.5–3.59 eV. The photoluminescence shows UV and visible emissions. The neutron and gamma shielding features were calculated and assessed based on Phy-X software of energies ranging from 0.015 to 15 MeV. The gamma shielding parameters were generally reduced by adding Mg instead of Ba. The neutron shielding parameter was enhanced gradually. Based on these results, the ability to use the synthesized samples in radiation and neutron shielding applications can be deduced. • XRD results showed that the nano-powders have a cubic crystal system. • The band gap values for magnesium-doped barium zirconate (BaZrO 3) ranged from 3.58 to 3.45 eV. • Adding Mg instead of Ba reduced the gamma-ray shielding properties. • Adding Mg instead of Ba increased the neutron shielding properties. [ABSTRACT FROM AUTHOR]

To reveal if universal rules may exist in face centered cubic (FCC) concentrated solid solution (CSS) alloys for strength and plastic deformation at room and cryogenic temperatures, we select a FCC CSS superalloy Haynes 188 to demonstrate the deformation mechanisms from atomic to micrometer scales. In FCC CSS alloys, the yield strength (YS) is intrinsically determined by atomic/modulus mismatches and affected extrinsically by grain size; the tensile strength and elongation to fracture (EF) are governed by the plastic process where low stacking fault energy is beneficial. Moreover, almost all CSS alloys show that YS and EF increase simultaneously with the decrease in the temperature. Our findings may expand alloy application and can be used as a design strategy for stronger and tougher alloys. [ABSTRACT FROM AUTHOR]

The paper presents research results of the thermal effect on the structure, phase composition, and morphology of natural magnesite (MgCO3) from the Savinsky deposit (Irkutsk region) used as a raw material. Two types of thermal treatment are applied to test specimens, namely: isothermal exposure at 1173 K and heating and melting in thermal plasma at a bulk temperature of 6500 K. According to the qualitative phase analysis, major phases include MgCO3 and MgO with hexagonal and cubic crystal systems. Complete information is obtained for the lattice structure both in the initial state and after Rietveld refinement of structural parameters. The high-throughput framework Aflow is used to evaluate the phase stability of the crystal lattices using the convex hull construction. The stability plot of MgCO3 and energy color matching are suggested with regard to spin polarization. [ABSTRACT FROM AUTHOR]

In2YSbO7 and In2YSbO7/BiSnSbO6 heterojunction photocatalyst were prepared by a solvothermal method for the first time. The structural characteristics of In2YSbO7 had been represented. The outcomes showed that In2YSbO7 crystallized well and possessed pyrochlore constitution, a stable cubic crystal system and space group Fd3m. The lattice parameter of In2YSbO7 was discovered to be a = 11.102698 Å and the band gap energy of In2YSbO7 was discovered to be 2.68 eV, separately. After visible-light irradiation of 120 minutes (VLGI-120M), the removal rate (ROR) of indigo carmine (IC) reached 99.42% with In2YSbO7/BiSnSbO6 heterojunction (IBH) as a photocatalyst. The ROR of total organic carbon (TOC) reached 93.10% with IBH as a photocatalyst after VLGI-120M. Additionally, the dynamics constant k which was taken from the dynamic curve toward (DCT) IC density and VLGI time with IBH as a catalyst reached 0.02950 min−1. The dynamics constant k which came from the DCT TOC density and VLGI time with IBH as a photocatalyst reached 0.01783 min−1. The photocatalytic degradation of IC in dye wastewater (DW) with IBH as a photocatalyst under VLGI was in accordance with the first-order kinetic curves. IBH was used to degrade IC in DW for three cycles of experiments under VLGI, and the ROR of IC reached 98.74%, 96.89% and 94.88%, respectively, after VLGI-120M, indicating that IBH had high stability. Compared with superoxide anions or holes, hydroxyl radicals possessed the largest oxidative ability for removing IC in DW, as demonstrated by experiments with the addition of trapping agents. Lastly, the probable degradation mechanism and degradation pathway of IC were revealed in detail. The results showed that a visible-light-responsive heterojunction photocatalyst which possessed high catalytic activity and a photocatalytic reaction system which could effectively remove IC in DW were obtained. This work provided a fresh scientific research idea for improving the performance of a single catalyst. [ABSTRACT FROM AUTHOR]

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In this paper, four types of truss lattices are designed by combining octet truss (FCC) unit cells with other elementary unit cells, including Simple Cubic (SC), Body-centered Cubic (BCC), Body-centered Block (BCB), and Z-pinned (Z). The elastic properties (uniaxial, shear, and bulk moduli, Zener's anisotropy index, and Poisson's ratio), yield strength, deformation modes, and energy absorption under quasi-static loading, and impact resistance under dynamic loading of these lattices were investigated through finite elements. The initial peak stress and subsequent plateau stress are elevated under dynamic loading. The stress waves velocity of the lattices is calculated by the dynamic enhancement term. Results indicate that the mechanical properties of the designed lattices are better than the reported FCC and BCC lattices. FCCBCB (which is combined with FCC and BCB elementary unit cell) remains stable for uniaxial compression at a relative density of about 0.2 and exhibits the highest energy absorption capacity at the relative density considered; the Zener index of FCCSC (which is combined with FCC and SC elementary unit cell) does not vary greatly with the increase of relative density (1.18 to 1.11 at the relative density considered), and the Zener index approaches unity indicating elastic isotropy; and FCCZ (which is combined with FCC and Z elementary unit cell) features the highest yield strength and Young' modulus among all lattices considered. The computational results are confirmed through uniaxial compression experiments on three-dimensional (3D)-printed specimens. [ABSTRACT FROM AUTHOR]

MgFe2O4 and MgFe2ZnxO4+δ composite samples were fabricated using MgCl2.6H2O and FeCl3.6H2O (and Zn(NO3)2.6H2O for the doped sample) in one-step, solid-state reactions at 800 °C for 12 h. The obtained materials were characterized by the powder X-ray diffraction technique. Rietveld analysis data showed that the obtained MgFe2O4 was crystallized in the cubic crystal system with the space group Fd-3m. The morphology of the synthesized materials was studied by a field emission scanning electron microscope. The aim of the present work was the preparation of 5-aryl-1H-tetrazoles from benzonitrile raw material derivatives and sodium azide in the presence of MgFe2O4 and MgFe2ZnxO4+δ heterogeneous and recyclable catalysts under conventional heating conditions. The main superiorities of the method were high output and simplicity. Time, temperature, solvent type, and quantity of the catalyst were considered crucial factors for optimization of the reaction conditions. According to the results, the best conditions for the catalytic reaction were 3 h, 80 °C, 5 mol% catalyst, and dimethyl sulfoxide solvent. At the optimum conditions, a high catalytic yield (97%) was obtained. [ABSTRACT FROM AUTHOR]